[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone

C20H24N2O3S — CID 3243698

IUPAC[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2C(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)19-21(20(23)17-7-5-4-6-8-17)13-14-22(19)26(24,25)18-11-9-16(3)10-12-18/h4-12,15,19H,13-14H2,1-3H3
InChIKeyZEBUYEAXBDUDCE-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.12
Rot. Bonds4

About [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone

[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone (PubChem CID 3243698) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone
PubChem CID3243698
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2C(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)19-21(20(23)17-7-5-4-6-8-17)13-14-22(19)26(24,25)18-11-9-16(3)10-12-18/h4-12,15,19H,13-14H2,1-3H3
InChIKeyZEBUYEAXBDUDCE-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4347
2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
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4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
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4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
4-[4-(Phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 146048142
4-(4-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 26773685
4-[4-(3-Fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 36275608
4-(2-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43235186
4-(4-Benzylpiperidine-1-carbonyl)benzenesulfonamide
CID 155569076

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone (CID 3243698) is [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2C(C)C)cc1.
What is the InChIKey of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone?
The InChIKey is ZEBUYEAXBDUDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(2)19-21(20(23)17-7-5-4-6-8-17)13-14-22(19)26(24,25)18-11-9-16(3)10-12-18/h4-12,15,19H,13-14H2,1-3H3.
What are the key properties of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone?
[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone has a molecular weight of 372.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 3243698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).